[Wannier] characters of the bands in Wannier90

[Jonathan Yates]

On 1 Sep 2010, at 09:01, Gianluca Giovannetti wrote:

> Dear All,
> 
> i would like to visualize the characters of the bands after the procedure of wannierization.
> 
> this means that if i`m projecting bands into d orbitals (z2-r2,xy,xz,yz,x2-y2) during the minimization of the spread then i would like to visualize the bands along BZ with k-points corresponding to  the different types of d orbitals. 
> 
> i tried with BANDS_PLOT_PROJECT into file.win but i believe it is just giving me the d character without separating into (z2-r2,xy,xz,yz,x2-y2).

Gianluca,

 In one run you can project onto a single WF or a subset of the WF.

So if WF 1 has z2-r2 symmetry then
 bands_plot_project : 1
will give the projection onto this WF.

 bands_plot_project : 1 2 3 
 will give you the projection onto the set of three WF, not 3 individual projections.

 So if you want to get the contributions from each of the WF in turn you'll need to do multiple runs (use continuation : plot)

 
 Hope this helps.


 Jonathan





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